Geometry & MOs

Info

ID:	169802
PubChem CID:	75150968
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	2.92
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-7-butan-2-yl-9-oxo-4-thia-10-azatricyclo[6.2.2.01,6]dodec-11-ene-11-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN4C3=NOCC4=O)OC

DOS

IR

Vibrations